Geometry & MOs

Info

ID:

299078

PubChem CID:

117670575

Reduced:

NH33C44 (1)

Stoich.:

AB33C44 (1)

Weight, g/mol:

669.24565

ΔHf, kcal/mol:

142.0

Dipole, Da:

0.77

IP(EA), eV:

 -8.04(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(6-fluoranthen-3-ylnaphthalen-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)C4=CC5=C(C=C4)C6=CC7=C(C=C6C=C5)N(C8=CC=CC=C87)C9=CC=CC=C9

DOS

IR

Vibrations